SCHEMBL19636007

SCHEMBL19636007

CCCc1nn(C)c2c1-c1c(C)ccc3c(CCCOc4cccc5ccccc45)c(C(=O)N=O)n(c13)CCCN(C)C2

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BAD Q92934 8/20 0.60
BCL2L1 Q07817 6/20 0.60
MCL1 Q07820 14/20 0.54
BCL2 P10415 4/20 0.54
PMAIP1 Q13794 5/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19615063 0.93 BAD (0.67) BADBCL2L1MCL1BCL2PMAIP1
SCHEMBL19635210 0.91 BAD (0.59) BADBCL2L1MCL1BCL2PMAIP1
SCHEMBL21802187 0.88 BAD (0.74) BADBCL2L1MCL1BCL2PMAIP1
SCHEMBL19616014 0.81 MCL1 (0.80) BADBCL2L1MCL1BCL2
SCHEMBL19635504 0.80 MCL1 (0.70) BADBCL2L1MCL1BCL2
SCHEMBL19635211 0.79 MCL1 (0.51) BADBCL2L1MCL1BCL2PMAIP1
SCHEMBL19615161 0.78 MCL1 (0.72) BADBCL2L1MCL1BCL2PMAIP1
SCHEMBL19635885 0.78 MCL1 (0.64) BADBCL2L1MCL1BCL2PMAIP1
SCHEMBL19635411 0.78 MCL1 (0.85) BADBCL2L1MCL1BCL2PMAIP1
SCHEMBL19615371 0.78 MCL1 (0.66) BADBCL2L1MCL1BCL2PMAIP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO disclosed